UCSF

ZINC33754692

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 5.37 -21.11 2 7 0 88 348.79 4
Hi High (pH 8-9.5) 2.28 6.59 -60.39 1 7 -1 90 347.782 4
Lo Low (pH 4.5-6) 2.28 5.48 -39.82 3 7 1 89 349.798 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.